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BDBM50098854 2-{2-[2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-acetylamino]-3-phenyl-propionyl}-benzooxazole-5-carboxylic acid methyl ester::CHEMBL26297

SMILES: COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1

InChI Key: InChIKey=ZEYKCKHIIXIHTH-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM50098854
PNG
(2-{2-[2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H25N5O6/c1-40-30(39)20-12-13-24-22(15-20)34-28(41-24)26(37)23(14-18-8-4-2-5-9-18)33-25(36)17-35-27(19-10-6-3-7-11-19)32-16-21(31)29(35)38/h2-13,15-16,23H,14,17,31H2,1H3,(H,33,36)
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PC cid
PC sid
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Article
PubMed
5.57n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against chymase from human heart.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098854
PNG
(2-{2-[2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H25N5O6/c1-40-30(39)20-12-13-24-22(15-20)34-28(41-24)26(37)23(14-18-8-4-2-5-9-18)33-25(36)17-35-27(19-10-6-3-7-11-19)32-16-21(31)29(35)38/h2-13,15-16,23H,14,17,31H2,1H3,(H,33,36)
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
46.8n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha chymotrypsin from bovine pancreas.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair